SCHEMBL3966892

SCHEMBL3966892

COc1cccc2c(S(=O)(=O)Cl)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.49
TRPV4 Q9HBA0 1/20 0.47
HTR6 P50406 1/20 0.44
ALDH1A1 P00352 6/20 0.44
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
FABP4 P15090 3/20 0.41
IDO1 P14902 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL639511 0.89 ALDH1A1 (0.55) TRPV4ALDH1A1MAPK1NPC1LMNA
SCHEMBL3133065 0.82 CDK2 (0.46) TRPV4HTR6ALDH1A1MAPK1TSHR
SCHEMBL29904571 0.82 CDK2 (0.46) TRPV4HTR6ALDH1A1MAPK1TSHR
SCHEMBL5239888 0.81 TTR (0.55) EDNRAHTR6ALDH1A1MAPK1NPC1
SCHEMBL29469804 0.81 CDK2 (0.56) EDNRAHTR6ALDH1A1MAPK1CA2
SCHEMBL28358485 0.81 TSHR (0.49) TRPV4ALDH1A1LMNATSHRHTT
SCHEMBL29490409 0.80 HTR6 (0.60) TRPV4HTR6NPC1TSHRKMT2A
SCHEMBL74380 0.80 HTR6 (0.60) TRPV4HTR6NPC1TSHRKMT2A
SCHEMBL31399698 0.80 EDNRA (0.48) EDNRAHTR6ALDH1A1MAPK1NPC1
SCHEMBL10002028 0.80 KMT2A (0.43) ALDH1A1MAPK1LMNATSHRHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009036955-A1 NAPHTYL-SUBSTITUTED SULFONAMIDES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-03-26 WO disclosed
EP-2036888-A1 Naphthyl-substituted sulfonamides Laboratorios del Dr. Esteve S.A. (ES) 2009-03-18 EP disclosed
EP-1455777-B1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 2007-11-21 EP disclosed
US-20050267152-A1 Gly1 transporter inhibitors and uses thereof in treatment of neurological and neuropsychiatric disorders MDS INC., DOING BUSINESS AS MDS SCIEX (CA) 2005-12-01 US disclosed
WO-2005049023-A1 GLYT1 TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-02 WO disclosed
EP-1455777-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 2004-09-15 EP disclosed
EP-0739886-B1 Selective thrombin inhibitors LG CHEMICAL LTD (KR) 2003-10-01 EP disclosed
WO-2003055478-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-10 WO disclosed
US-5985899-A ANTICOAGULANTS LG CHEMICAL LTD. (KR) 1999-11-16 US disclosed
US-5977114-A Selective thrombin inhibitors LG CHEMICAL LTD. (KR) 1999-11-02 US disclosed
US-5747535-A AMIDINOPHENYL COMPOUNDS LG CHEMICAL LTD. (KR) 1998-05-05 US disclosed
WO-1997049673-A1 SELECTIVE THROMBIN INHIBITORS LG CHEMICAL LTD. (KR) 1997-12-31 WO disclosed
EP-0558258-B1 N-isoxazole-naphthylsulfonamide derivatives and their use as endothelin antagonists SQUIBB & SONS INC (US) 1997-05-07 EP disclosed
EP-0739886-A2 Selective thrombin inhibitors LG Chemical Limited (KR) 1996-10-30 EP disclosed
US-5378715-A Sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1995-01-03 US disclosed
EP-0558258-A1 N-isoxazole-naphthylsulfonamide derivatives and their use as endothelin antagonists E.R. SQUIBB & SONS, INC. (US) 1993-09-01 EP disclosed
US-4139529-A ANTICOAGULANTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1979-02-13 US disclosed
US-4066759-A ANTITHROMBOTIC AGENTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-01-03 US disclosed
US-4066758-A ANTITHROMBOTIC MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-01-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050267152-A1 Gly1 transporter inhibitors and uses thereof in treatment of neurological and neuropsychiatric disorders SLC1A2, SLC1A1, SLC18A2 EDNRA 1982/4885TRPV4 2440/4885HTR6 182/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.